2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol

C14H12ClNO2 — CID 135703126

IUPAC2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO2/c1-9-2-7-13(17)12(8-9)14(16-18)10-3-5-11(15)6-4-10/h2-8,17-18H,1H3/b16-14+
InChIKeyLCTYUYIQNJOJKI-JQIJEIRASA-N
MW261.71 g/mol
LogP3.58
Rot. Bonds2

About 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol

2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol (PubChem CID 135703126) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol
PubChem CID135703126
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO2/c1-9-2-7-13(17)12(8-9)14(16-18)10-3-5-11(15)6-4-10/h2-8,17-18H,1H3/b16-14+
InChIKeyLCTYUYIQNJOJKI-JQIJEIRASA-N
XLogP3.58
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol (CID 135703126) is 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol is Cc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol?
The InChIKey is LCTYUYIQNJOJKI-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-2-7-13(17)12(8-9)14(16-18)10-3-5-11(15)6-4-10/h2-8,17-18H,1H3/b16-14+.
What are the key properties of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol?
2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol has a molecular weight of 261.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 135703126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).